3-bromanyl-4-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrF3N2O2S MolecularWeight: 503.37579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C21H22BrF3N2O2S/c1-2-3-4-5-11-29-18-10-9-14(12-17(18)22)19(28)27-20(30)26-16-8-6-7-15(13-16)21(23,24)25/h6-10,12-13H,2-5,11H2,1H3,(H2,26,27,28,30)